Magnetic properties of d1–d1–d2 MV trimers with partial electron delocalization in the generalized vibronic model

Haiquan Hu,Zhida Chen,Xiaohua Yang

doi:10.1016/j.chemphys.2004.11.001

Magnetic properties of d1–d1–d2 MV trimers with partial electron delocalization in the generalized vibronic model

Haiquan Hu, Zhida Chen + Show 1 more

https://doi.org/10.1016/j.chemphys.2004.11.001

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Journal: Chemical Physics

Publication Date: Nov 23, 2004

Affiliation: Peking University, Liaocheng University

#Vibronic Coupling #Double Exchange Coupling + Show 8 more

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Abstract

Abstract The effects of magnetic exchange, double exchange and vibronic coupling on magnetic properties of the d1–d1–d2 trimer with C2V symmetry are discussed in the generalized vibronic model. The magnetic moments are calculated with the semiclassical adiabatic approach. The results show that the PKS vibronic coupling and the P vibronic coupling favor the localization and the delocalization of the ‘extra’ electron, respectively. The magnetic properties are determined by the interplay among magnetic exchange, double exchange and vibronic coupling.

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